Using molecular dynamics (MD) simulations, a porous graphene membrane was exposed to external electric fields to separate positive and negative ions from salt-water and to produce fresh water. It was observed that, by increasing the strength of the applied electric field, ion separation improved noticeably. In addition, to obtain fresh water, the designed system included two graphene membranes, which are exposed to two external electric fields in opposite directions. Ion rejection was found to be greater than 93% for the electric field of 10 mV/Å and higher. This atomic-level simulation increases the understanding of electric field effects on desalination using multilayer graphene membranes and can be helpful in designing more efficient membranes.

中文翻译：

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通过在多孔石墨烯膜上施加外电场进行离子分离和水净化

使用分子动力学（MD）模拟，将多孔石墨烯膜暴露于外部电场，以从盐水中分离正离子和负离子，并产生淡水。观察到，通过增加施加的电场强度，离子分离显着改善。此外，为了获得淡水，设计的系统包括两个石墨烯膜，它们在相反的方向上暴露于两个外部电场。发现对于10 mV /Å或更高的电场，离子截留率大于93％。这种原子级的模拟增加了人们对使用多层石墨烯膜进行脱盐处理的电场影响的了解，并有助于设计更有效的膜。